Hello,
Thanks a lot for the two new capping residue templates Acy and Nh3.
I updated the ccpnmr Analysis 2.1.5, but there is always a problem.
I can't open an already existing project. The error message is:
>>> Error loading file for: <ccp.molecule.ChemComp.NonStdChemComp ['other', 'Acy']>
Reading: <open file '/home/nat/logiciels/ccpnmr/ccpnmr2.1/data/ccp/molecule/ChemComp/other+Acy+ChemBuild_tjs23_2011-03-14-23-20-23-515_00001.xml', mode 'r' at 0xb3dcb860>
Last xml tag read: CHEM.ChemComp.chemAtomSets
Parser state was: postprocessing data
Object stack was empty
Error loading file for: <ccp.molecule.MolSystem.MolSystem ['MS1']>
Reading: <open file '/home/nat/axelle/Nrf2_280_test/ccp/molecule/MolSystem/MS1+Nrf2_280_calib_nat_2011-03-04-16-43-34-820_00001.xml', mode 'r' at 0xb3dcb7b0>
Last xml tag read: _StorageUnit
Parser state was: checking validity
Object stack was empty
Error loading file for: <ccp.nmr.Nmr.NmrProject ['Nrf2_280_calib']>
Reading: <open file '/home/nat/axelle/Nrf2_280_test/ccp/nmr/Nmr/Nrf2_280_calib+Nrf2_280_calib_nat_2011-02-24-17-06-45-852_00001.xml', mode 'r' at 0xae1506a8>
Last xml tag read: NMR.AtomSet.atoms
Parser state was: reading
Current object was: <ccp.nmr.Nmr.AtomSet ['Nrf2_280_calib', 1]>
Loading Project
Cannot add child – key already in use:
ccp.molecule.ChemComp.NonStdChemComp.Implementation.MemopsRootid:3036838572>:('other','Acy')
And when I try to make a new project, I can't build a new molecule
The error message is:
>>> Error loading file for: <ccp.molecule.ChemComp.NonStdChemComp ['other', 'Acy']>
Reading: <open file '/home/nat/logiciels/ccpnmr/ccpnmr2.1/data/ccp/molecule/ChemComp/other+Acy+ChemBuild_tjs23_2011-03-14-23-20-23-515_00001.xml', mode 'r' at 0xb4707c28>
Last xml tag read: CHEM.ChemComp.chemAtomSets
Parser state was: postprocessing data
Object stack was empty
ApiError: Cannot add child - key already in use: ccp.molecule.ChemComp.NonStdChemComp:<memops.Implementation.MemopsRoot id:2999127404>:('other', 'Acy')
NonStdChemComp [
Thanks in advance,
Nathalie Evrard
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Nathalie Evrard-Todeschi
Equipe de RMN et Modélisation Moléculaire
Université Paris Descartes
Laboratoire de Chimie et Biochimie Pharmacologiques
et Toxicologiques. UMR 8601 CNRS.
45, rue des Saints-Pères,
75006 Paris
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